(3S)-1-[(4-phenethyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl)methyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[(4-phenethyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl)methyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[(4-phenethyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl)methyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[(4-phenethyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl)methyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[(4-phenethyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl)methyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[(4-phenethyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl)methyl]piperidin-1-ium-3-carboxamide Formula: C24H32N3O2+ MolecularWeight: 394.52978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC3=C(C=C2)OCCN(C3)CCC4=CC=CC=C4)C(=O)N

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC3=C(C=C2)OCCN(C3)CCC4=CC=CC=C4)C(=O)N

InChI

InChI=1S/C24H31N3O2/c25-24(28)21-7-4-11-27(17-21)16-20-8-9-23-22(15-20)18-26(13-14-29-23)12-10-19-5-2-1-3-6-19/h1-3,5-6,8-9,15,21H,4,7,10-14,16-18H2,(H2,25,28)/p+1/t21-/m0/s1